acompound

Showing entry for Martynoside A

General Compound Information
BXGC Id	BXGC0042882
Compound Name	Martynoside A
Structure
Formula	C31H40O15
InchiKey	WLWAYPFRKDSFCL-CNMJWYMJSA-N
SMILES	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)OC)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Inchi	InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/
IUPAC	[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Weight	652.24
Pubchem Id	5319292
Chembl Id	CHEMBL503531

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

CHEMBL503531

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	20	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00858	Euphorbia antiquorum	Euphorbia antiquorum	Medicinal Plant
BXGF00952	Cyathula tomentosa	Cyathula tomentosa	Medicinal Plant
BXGF01096	Scapania aequiloba	Scapania aequiloba	Others
BXGF01099	Exochorda giraldii	Exochorda giraldii	Others
BXGF01189	Artemisia argentea	Artemisia argentea	Others
BXGF01392	Brodiaea californica	Brodiaea californica	Others
BXGF01517	Allium stipitatum	Allium stipitatum	Medicinal Plant
BXGF01564	Spergula japonica	Spergula japonica	Others
BXGF01627	Asphodeline damascena	Asphodeline damascena	Others
BXGF01690	Populus yunnanensis	Populus yunnanensis	Others
BXGF01815	Scabiosa comosa	Scabiosa comosa	Medicinal Plant
BXGF01842	Plectranthus lanuginosus	Plectranthus lanuginosus	Medicinal Plant
BXGF01873	Kopsia longiflora	Kopsia longiflora	Medicinal Plant
BXGF01938	Lepidophorum repandum	Lepidophorum repandum	Others
BXGF01962	Alstonia pittieri	Alstonia pittieri	Others
BXGF01965	Angiopteris evecta	Angiopteris evecta	Medicinal Plant
BXGF02072	Ozothamnus obcordatus	Ozothamnus obcordatus	Others
BXGF02126	Rhododendron campylocarpum	Rhododendron campylocarpum	Others
BXGF02208	Stephania aculeata	Stephania aculeata	Others
BXGF02253	Quercus pedunculata	Quercus pedunculata	Others
BXGF02484	Danae racemosa	Danae racemosa	Others
BXGF02489	Ajuga decumbens	Ajuga decumbens	Medicinal Plant
BXGF02545	Toddalia aculeata	Toddalia aculeata	Medicinal Plant
BXGF02891	Isodon sculponeatus	Isodon sculponeatus	Others
BXGF02949	Xylosalsola arbuscula	Xylosalsola arbuscula	Others
BXGF03019	Melampodium argophyllum	Melampodium argophyllum	Others
BXGF03060	Arctotheca calendula	Arctotheca calendula	Human Edible Plant
BXGF03085	Elaeagnus orientalis	Elaeagnus orientalis	Medicinal Plant
BXGF03097	Psydrax livida	Psydrax livida	Human Edible Plant
BXGF03200	Daphniphyllum calycinum	Daphniphyllum calycinum	Medicinal Plant
BXGF03276	Crotalaria laburnifolia	Crotalaria laburnifolia	Medicinal Plant
BXGF03396	Himantoglossum hircinum	Himantoglossum hircinum	Others
BXGF04036	Solanum pseudopersicum	Solanum pseudopersicum	Others
BXGF04287	Acacia lasiopetala	Acacia lasiopetala	Others
BXGF04377	Euphrasia rubra	Euphrasia rubra	Others
BXGF04571	Jacaranda caucana	Jacaranda caucana	Others
BXGF04597	Notholaena lemmonii	Notholaena lemmonii	Others
BXGF04861	Rhodanthe maryonii	Rhodanthe maryonii	Others
BXGF05098	Plantago asiatica	Plantago asiatica	Medicinal Plant
BXGF05341	Scrophularia ningpoensis	Scrophularia ningpoensis	Medicinal Plant
BXGF05402	Myristica malabarica	Myristica malabarica	Medicinal Plant
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	Medicinal Plant
BXGF05572	Spartium junceum	Spartium junceum	Medicinal Plant
BXGF05669	Marrubium velutinum	Marrubium velutinum	Medicinal Plant
BXGF05670	Scrophularia buergeriana	Scrophularia buergeriana	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	Medicinal Plant
BXGF06049	Eucalyptus kitsoniana	Eucalyptus kitsoniana	Others
BXGF06308	Plagiomnium cuspidatum	Plagiomnium cuspidatum	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}